azepan-1-yl-(3-ethylphenyl)methanone

C15H21NO — CID 59382478

IUPACazepan-1-yl-(3-ethylphenyl)methanone
SMILESCCc1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C15H21NO/c1-2-13-8-7-9-14(12-13)15(17)16-10-5-3-4-6-11-16/h7-9,12H,2-6,10-11H2,1H3
InChIKeyPVVQHVFXYXRKMO-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.27
Rot. Bonds2

About azepan-1-yl-(3-ethylphenyl)methanone

azepan-1-yl-(3-ethylphenyl)methanone (PubChem CID 59382478) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is azepan-1-yl-(3-ethylphenyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(3-ethylphenyl)methanone
PubChem CID59382478
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Nameazepan-1-yl-(3-ethylphenyl)methanone
SMILESCCc1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C15H21NO/c1-2-13-8-7-9-14(12-13)15(17)16-10-5-3-4-6-11-16/h7-9,12H,2-6,10-11H2,1H3
InChIKeyPVVQHVFXYXRKMO-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze azepan-1-yl-(3-ethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(chloromethyl)phenyl]-piperidin-1-ylmethanone
CID 10014405
ethane;(3-ethylphenyl)-morpholin-4-ylmethanone
CID 143725238
azepan-1-yl-[3-(methylsulfanylmethyl)phenyl]methanone
CID 60667458
[3-(2,2-dimethylpentyl)phenyl]-piperidin-1-ylmethanone
CID 126764258
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
(3-ethylphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 90124178
[3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 84558036
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 177347278
3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
CID 119911984
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
2-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
CID 119913340

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(3-ethylphenyl)methanone?
The IUPAC name of azepan-1-yl-(3-ethylphenyl)methanone (CID 59382478) is azepan-1-yl-(3-ethylphenyl)methanone.
What is the SMILES notation for azepan-1-yl-(3-ethylphenyl)methanone?
The canonical SMILES for azepan-1-yl-(3-ethylphenyl)methanone is CCc1cccc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of azepan-1-yl-(3-ethylphenyl)methanone?
The InChIKey is PVVQHVFXYXRKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-13-8-7-9-14(12-13)15(17)16-10-5-3-4-6-11-16/h7-9,12H,2-6,10-11H2,1H3.
What are the key properties of azepan-1-yl-(3-ethylphenyl)methanone?
azepan-1-yl-(3-ethylphenyl)methanone has a molecular weight of 231.34 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(3-ethylphenyl)methanone is sourced from PubChem (CID 59382478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).